GaAs Comparison Cardona, Phys. Rev. B 38, 1806–1827 (1988)
Electron poor materials research group. Group meeting Sept. 08, Theory-VASP and simple tight binding.
k.p method. matching to band gaps at certain k-points.
pressure coupled psuedo-potential.
emperical psuedo potential.
WIEN2k. augmented plain wave and local orbital.
ZnSe Comparison Cui, Journal of Alloys and Compounds 472 (2009) 294–298 plane wave, US and GGA
ZnTe Comparison Khenata,Computational Materials Science 38 29–38 (2006) WIEN2k, augmented plane wave with local orbitals.
Compound Properties currently all calculated with LDA
Tight Binding according to Harris. Electronic Structure and the Properties of Solids, Harris Tight Binding on the LEFT. VASP USING LDA ON THE RIGHT.
Theory-VASP and simple tight binding - ppt download
Dft presentation
Dft calculation by vasp
PPT - Electron/Photon group overview PowerPoint Presentation, free download - ID:4762270
PPT - Quantum Transport PowerPoint Presentation, free download - ID:5100548
Introduction to Tight-Binding - ppt download
PPT - Alkenes like CO are poor 2-electron donors. PowerPoint Presentation - ID:4750415
Tony Paxton: Introduction to the tight binding approximation. Lecture 2, Applications
Introduction to Tight-Binding - ppt download
Tight binding
Wannier in abinit. Si and ZnSb March - ppt download
Dft calculation by vasp
Introduction to Tight-Binding - ppt download
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